SCHEMBL2648480

SCHEMBL2648480

CC(=O)N1CCN(c2cccc(Nc3ccc(C(=O)OC(C)N(C)C)cc3[N+](=O)[O-])c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
HCAR3 P49019 1/20 0.41
THRB P10828 2/20 0.40
VDR P11473 1/20 0.40
PPARG P37231 1/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
MGLL Q99685 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2649234 0.88 MAPT (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2648721 0.85 MAPT (0.50) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2648482 0.84 MAPT (0.44) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2650623 0.82 MAPT (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2649683 0.82 MAPT (0.48) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2656495 0.80 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2654223 0.80 AKR1C3 (0.60) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2654961 0.78 AKR1C3 (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL2655113 0.77 AKR1B1 (0.59) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL5781737 0.77 MAPT (0.49) MAPTALDH1A1MEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO disclosed